5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C30H29ClN4O4 — CID 22522459

IUPAC5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)c(Cl)c2)C3=O)cc1
InChIInChI=1S/C30H29ClN4O4/c1-19-9-12-22(15-24(19)31)35-28(36)26-16-25(20-10-13-23(38-3)14-11-20)33-34(26)18-30(35,2)29(37)32-17-21-7-5-6-8-27(21)39-4/h5-16H,17-18H2,1-4H3,(H,32,37)
InChIKeyBOLLPTMQNVURJX-UHFFFAOYSA-N
MW545.04 g/mol
LogP5.26
Rot. Bonds7

About 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 22522459) has the molecular formula C30H29ClN4O4 and a molecular weight of 545.04 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID22522459
Molecular FormulaC30H29ClN4O4
Molecular Weight545.04 g/mol
Exact Mass544.19
IUPAC Name5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)c(Cl)c2)C3=O)cc1
InChIInChI=1S/C30H29ClN4O4/c1-19-9-12-22(15-24(19)31)35-28(36)26-16-25(20-10-13-23(38-3)14-11-20)33-34(26)18-30(35,2)29(37)32-17-21-7-5-6-8-27(21)39-4/h5-16H,17-18H2,1-4H3,(H,32,37)
InChIKeyBOLLPTMQNVURJX-UHFFFAOYSA-N
XLogP5.26
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.04
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756671
(6S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739267
(6S)-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 98269243
(6R)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739238
ethyl 5-(3-chloro-4-methylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279274
(6S)-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739229
(6S)-5-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739185
(6S)-5-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 98269233
(6R)-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739255
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
(6S)-5-cyclopropyl-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739275
5-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756630

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 22522459) is 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(c2ccc(C)c(Cl)c2)C3=O)cc1.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is BOLLPTMQNVURJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN4O4/c1-19-9-12-22(15-24(19)31)35-28(36)26-16-25(20-10-13-23(38-3)14-11-20)33-34(26)18-30(35,2)29(37)32-17-21-7-5-6-8-27(21)39-4/h5-16H,17-18H2,1-4H3,(H,32,37).
What are the key properties of 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 545.04 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 22522459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).